tert-butyl 2-amino-4-(2-methoxy-4-methylphenyl)-4-oxobutanoate

C16H23NO4 — CID 83224632

IUPACtert-butyl 2-amino-4-(2-methoxy-4-methylphenyl)-4-oxobutanoate
SMILESCOc1cc(C)ccc1C(=O)CC(N)C(=O)OC(C)(C)C
InChIInChI=1S/C16H23NO4/c1-10-6-7-11(14(8-10)20-5)13(18)9-12(17)15(19)21-16(2,3)4/h6-8,12H,9,17H2,1-5H3
InChIKeyMVZYZMDTIHUKBO-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.25
Rot. Bonds5

About tert-butyl 2-amino-4-(2-methoxy-4-methylphenyl)-4-oxobutanoate

tert-butyl 2-amino-4-(2-methoxy-4-methylphenyl)-4-oxobutanoate (PubChem CID 83224632) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is tert-butyl 2-amino-4-(2-methoxy-4-methylphenyl)-4-oxobutanoate.

Molecular Properties

Compound Nametert-butyl 2-amino-4-(2-methoxy-4-methylphenyl)-4-oxobutanoate
PubChem CID83224632
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nametert-butyl 2-amino-4-(2-methoxy-4-methylphenyl)-4-oxobutanoate
SMILESCOc1cc(C)ccc1C(=O)CC(N)C(=O)OC(C)(C)C
InChIInChI=1S/C16H23NO4/c1-10-6-7-11(14(8-10)20-5)13(18)9-12(17)15(19)21-16(2,3)4/h6-8,12H,9,17H2,1-5H3
InChIKeyMVZYZMDTIHUKBO-UHFFFAOYSA-N
XLogP2.25
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[5-(2-methoxy-4-methylphenyl)-5-oxopentan-2-yl]carbamate
CID 166775930
tert-butyl 2-amino-4-oxo-4-(2,4,6-trimethylphenyl)butanoate
CID 83224637
2-(3,5-dimethylphenyl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790381
1-(2-methoxy-4-methylphenyl)-5,5-dimethylhexan-1-one
CID 114209847
3-amino-4-methoxy-1-(2-methoxy-5-methylphenyl)butan-1-one
CID 112629857
2-methylpropyl 2-methoxy-4-methylbenzoate
CID 141306404
tert-butyl 2-amino-4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 83226237
2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxy-4-methylphenyl)ethanone
CID 43232681
2-amino-4-(2-methoxy-4-methylphenoxy)-4-methylpentanoic acid
CID 116821176
tert-butyl 2-amino-4-(1-benzofuran-3-yl)-4-oxobutanoate
CID 83224735
2-(3-hydroxy-2-methylpropyl)sulfanyl-1-(2-methoxy-4-methylphenyl)ethanone
CID 66102960
2-[2-(2-methoxyethoxy)ethoxy]-1-(2-methoxy-4-methylphenyl)ethanone
CID 104563929

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-4-(2-methoxy-4-methylphenyl)-4-oxobutanoate?
The IUPAC name of tert-butyl 2-amino-4-(2-methoxy-4-methylphenyl)-4-oxobutanoate (CID 83224632) is tert-butyl 2-amino-4-(2-methoxy-4-methylphenyl)-4-oxobutanoate.
What is the SMILES notation for tert-butyl 2-amino-4-(2-methoxy-4-methylphenyl)-4-oxobutanoate?
The canonical SMILES for tert-butyl 2-amino-4-(2-methoxy-4-methylphenyl)-4-oxobutanoate is COc1cc(C)ccc1C(=O)CC(N)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-amino-4-(2-methoxy-4-methylphenyl)-4-oxobutanoate?
The InChIKey is MVZYZMDTIHUKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-10-6-7-11(14(8-10)20-5)13(18)9-12(17)15(19)21-16(2,3)4/h6-8,12H,9,17H2,1-5H3.
What are the key properties of tert-butyl 2-amino-4-(2-methoxy-4-methylphenyl)-4-oxobutanoate?
tert-butyl 2-amino-4-(2-methoxy-4-methylphenyl)-4-oxobutanoate has a molecular weight of 293.36 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-4-(2-methoxy-4-methylphenyl)-4-oxobutanoate is sourced from PubChem (CID 83224632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).